Glycoside
GD120478
Name:
8-methyl-6-oxo-1-{[3,4,5-trihydroxy-6-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1H,4aH,5H,6H,8H,8aH-pyrano[3,4-c]pyran-4-carboxylic acidFormula:
C25H28O13Smiles:
CC1OC(=O)CC2C(C(=O)O)=COC(OC3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)C12Aglycone:
CC1OC(=O)CC2C(C(=O)O)=COC(O)C12.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 7 |
| MolWt: | 536.49 | Num_heavy_atoms: | 38 |
| TPSA: | 198.51 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD03047
Formula: C10H12O6
Smiles:
CC1OC(=O)CC2C(C(=O)O)=COC(O)C12| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 228.2 | Num_heavy_atoms: | 16 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
